%chk=000004307.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004307

0 1
 I   -2.595500       3.592700      0.6355000    
 S    3.404400     -0.1907000     -0.6705000    
 O    3.438600      0.1475000      -2.080500    
 O    4.620800     -0.1539000      0.1185000    
 N    2.665200      -1.708800     -0.4725000    
 N   -6.484900     -0.3417000     -0.2319000    
 C  -0.6128000      -2.502800      0.7163000    
 C   0.3482000      -3.489700      5.0000001E-02
 C   -1.928500      -2.398400     -5.6899998E-02
 C    1.675700      -3.569600      0.8099000    
 C   -2.901500      -1.436500      0.6285000    
 C    2.389200      -2.224100      0.8862000    
 C   -4.207200      -1.311000     -0.1623000    
 C    2.244600      0.8838000      0.1200000    
 C   -5.239200     -0.4131000      0.5220000    
 C   0.9776000       1.163500     -0.4174000    
 C   0.1076000       2.036100      0.2791000    
 C    2.648100       1.456100       1.326700    
 C   0.5550000      0.5970000      -1.630900    
 C   0.5305000       2.603000       1.492400    
 C    1.792700       2.313900       2.011700    
 C   -1.159200       2.316200     -0.2585000    
 C  -0.7071000      0.8863000      -2.150100    
 C   -1.562600       1.744300      -1.465400    
 H  -0.8120000      -2.821600       1.746500    
 H  -0.1783000      -1.500800      0.7643000    
 H   0.4972000      -3.227800      -1.002000    
 H  -0.1078000      -4.487700      5.0000001E-02
 H   -1.727900      -2.054600      -1.078700    
 H   -2.388800      -3.390900     -0.1345000    
 H    2.321400      -4.300100      0.3072000    
 H    1.500400      -3.943700       1.825500    
 H   -3.120400      -1.798300       1.640500    
 H   -2.439900     -0.4484000      0.7334000    
 H    3.345800      -2.361900       1.402900    
 H    1.809900      -1.505500       1.469200    
 H   -3.985700     -0.9168000      -1.162400    
 H   -4.638000      -2.310600     -0.3040000    
 H    2.114400      -2.081600      -1.252000    
 H   -5.456700     -0.7976000       1.524400    
 H   -4.831500      0.5967000      0.6396000    
 H    3.618900       1.256000       1.769500    
 H    1.143600     -0.1058000      -2.206400    
 H  -8.7899998E-02   3.278200       2.074500    
 H    2.107200       2.758000       2.951800    
 H   -6.302200      3.8300000E-02  -1.159800    
 H   -7.120100      0.3112000      0.2250000    
 H   -1.026500      0.4338000      -3.084600    
 H   -2.541000       1.946000      -1.894400    


%chk=000004307-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004307

0 1
I -2.603768 3.712233 0.537181
S 3.576928 -0.213586 -0.610270
O 3.760735 0.077941 -2.198753
O 4.831283 -0.243344 0.418135
N 2.799234 -1.875360 -0.508162
N -6.635545 -0.392581 -0.095467
C -0.659653 -2.568028 0.720814
C 0.310410 -3.582849 0.072565
C -2.047047 -2.536556 0.040841
C 1.696570 -3.682456 0.760951
C -3.003879 -1.496788 0.666534
C 2.478493 -2.350730 0.861925
C -4.386650 -1.450375 -0.020057
C 2.303478 1.014321 0.154776
C -5.329381 -0.397277 0.597186
C 1.077226 1.325156 -0.518743
C 0.137310 2.176614 0.210340
C 2.659206 1.505522 1.402739
C 0.742732 0.849858 -1.830124
C 0.510727 2.676305 1.501659
C 1.740757 2.363639 2.080666
C -1.120189 2.467650 -0.427667
C -0.491336 1.165405 -2.395974
C -1.438433 1.970514 -1.692275
H -0.781179 -2.813229 1.796667
H -0.227353 -1.546743 0.682403
H 0.429599 -3.339155 -1.005082
H -0.154185 -4.588998 0.091415
H -1.918657 -2.310268 -1.038988
H -2.508933 -3.544227 0.095148
H 2.326312 -4.421285 0.230714
H 1.561033 -4.053287 1.796515
H -3.137301 -1.723822 1.745132
H -2.533058 -0.492298 0.615411
H 3.433223 -2.517649 1.387599
H 1.887140 -1.612341 1.447161
H -4.250092 -1.229081 -1.100888
H -4.882362 -2.438606 0.039581
H 2.004016 -1.878345 -1.170386
H -5.509058 -0.655719 1.659113
H -4.808988 0.593522 0.592108
H 3.623972 1.228722 1.841320
H 1.489551 0.293902 -2.406931
H -0.192801 3.321114 2.037740
H 2.005503 2.766897 3.062791
H -6.569306 -0.168483 -1.094146
H -7.360620 0.162323 0.369804
H -0.742150 0.810910 -3.400926
H -2.399715 2.205520 -2.156696


